CID 43725880

Methyl 2-{[(4-chlorophenyl)methyl]amino}-2-methylpropanoate

Structural Information

Molecular Formula
C12H16ClNO2
SMILES
CC(C)(C(=O)OC)NCC1=CC=C(C=C1)Cl
InChI
InChI=1S/C12H16ClNO2/c1-12(2,11(15)16-3)14-8-9-4-6-10(13)7-5-9/h4-7,14H,8H2,1-3H3
InChIKey
VVNMUGRBNPENJS-UHFFFAOYSA-N
Compound name
methyl 2-[(4-chlorophenyl)methylamino]-2-methylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.08696 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.094236 153.4
[M+Na]+ 264.076178 160.9
[M-H]- 240.079684 157.1
[M+NH4]+ 259.120783 171.9
[M+K]+ 280.050118 157.5
[M+H-H2O]+ 224.084220 148.4
[M+HCOO]- 286.085161 171.6
[M+CH3COO]- 300.100811 193.8
[M+Na-2H]- 262.061626 158.6
[M]+ 241.08641142 157.1
[M]- 241.08750858 157.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.